3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide

C12H14N2OS — CID 107112801

IUPAC3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)N(C)C)sc12
InChIInChI=1S/C12H14N2OS/c1-7-5-4-6-8-9(13)11(16-10(7)8)12(15)14(2)3/h4-6H,13H2,1-3H3
InChIKeyQWFJHJVBMGAZJW-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.49
Rot. Bonds1

About 3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide

3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide (PubChem CID 107112801) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide
PubChem CID107112801
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)N(C)C)sc12
InChIInChI=1S/C12H14N2OS/c1-7-5-4-6-8-9(13)11(16-10(7)8)12(15)14(2)3/h4-6H,13H2,1-3H3
InChIKeyQWFJHJVBMGAZJW-UHFFFAOYSA-N
XLogP2.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,7-dimethyl-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide
CID 107112883
3-amino-7-methyl-N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide
CID 107112735
3-amino-N,N-bis(cyanomethyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112769
3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide
CID 107112750
3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide
CID 107112879
3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide
CID 107112834
3-amino-N-ethyl-7-methyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 107113411
3-amino-N-(3-hydroxypropyl)-7-methyl-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 107112953
(3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
CID 107112793
3-amino-7-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107112989
3-amino-7-methyl-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112811
3-amino-7-methyl-N-[2-(methylsulfamoyl)ethyl]-1-benzothiophene-2-carboxamide
CID 106342964

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide (CID 107112801) is 3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide is Cc1cccc2c(N)c(C(=O)N(C)C)sc12.
What is the InChIKey of 3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide?
The InChIKey is QWFJHJVBMGAZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-7-5-4-6-8-9(13)11(16-10(7)8)12(15)14(2)3/h4-6H,13H2,1-3H3.
What are the key properties of 3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide?
3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107112801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).